Crystallography Open Database

Information card for entry 4123788

Preview

Coordinates	4123788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 N O5
Calculated formula	C20 H23 N O5
Title of publication	Catalytic enantioselective intermolecular desymmetrization of azetidines.
Authors of publication	Wang, Zhaobin; Sheong, Fu Kit; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Sun, Jianwei
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	18
Pages of publication	5895 - 5898
a	8.581 ± 0.0003 Å
b	9.1263 ± 0.0004 Å
c	24.3122 ± 0.0011 Å
α	92.037 ± 0.003°
β	91.652 ± 0.003°
γ	110.704 ± 0.004°
Cell volume	1778.13 ± 0.14 Å³
Cell temperature	99.9 ± 0.4 K
Ambient diffraction temperature	99.9 ± 0.4 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4123788.cif
137988	2015-06-04	cif/ Adding structures of 4123788 via cif-deposit CGI script.	4123788.cif